Schafarzikite Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R120039 Fischer R, Pertlik F Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 236-241 Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4 Locality: Pernek, Slowakei, CSSR _database_code_amcsd 0015656 CELL PARAMETERS: 8.6150 8.6150 5.9150 90.000 90.000 90.000 SPACE GROUP: P4_2/mbc ATOM X Y Z OCCUPANCY ISO(B) Fe 0.00000 0.50000 0.25000 1.000 0.566 Sb 0.17636 0.16587 0.00000 1.000 0.790 O 0.67940 0.17940 0.25000 1.000 1.981 O 0.10180 0.64120 0.00000 1.000 0.809 X-RAY WAVELENGTH: 1.541838 BOUNDS ON TWO THETA: 5.0 90.0 LIMITS IMPOSED ON THE INDICES ARE: +/- 7 +/- 7 +/- 5 MAX. ABS. INTENSITY / VOLUME**2: 164.9604498 The INTENSITY cut off value is 1.00 2-THETA INTENSITY D-SPACING H K L 14.54 4.05 6.0917 1 1 0 20.62 14.78 4.3075 2 0 0 27.63 100.00 3.2283 2 1 1 29.32 14.27 3.0459 2 2 0 30.22 10.77 2.9575 0 0 2 32.88 21.28 2.7243 3 1 0 33.69 10.13 2.6605 1 1 2 36.87 21.44 2.4381 2 0 2 38.37 3.81 2.3460 2 1 2 41.95 1.23 2.1537 4 0 0 44.62 4.20 2.0306 3 3 0 45.25 2.19 2.0037 3 1 2 46.07 30.94 1.9701 4 1 1 47.18 4.61 1.9264 4 2 0 52.11 15.55 1.7552 2 1 3 52.57 7.45 1.7410 4 0 2 54.84 20.70 1.6740 3 3 2 59.90 6.64 1.5443 5 2 1 62.84 4.09 1.4787 0 0 4 62.90 5.31 1.4775 5 3 0 63.40 5.66 1.4670 5 1 2 64.95 5.74 1.4358 6 0 0 65.04 9.75 1.4340 4 1 3 70.83 1.65 1.3303 2 2 4 71.36 2.41 1.3217 5 3 2 71.98 5.47 1.3119 5 4 1 72.77 3.77 1.2996 3 1 4 73.29 1.99 1.2917 6 0 2 76.72 2.97 1.2423 5 2 3 77.09 3.97 1.2372 6 2 2 80.32 1.50 1.1954 3 3 4 82.18 1.41 1.1730 4 2 4 83.27 3.42 1.1604 7 2 1 85.95 3.11 1.1309 2 1 5 86.37 1.06 1.1265 5 5 2 87.84 3.02 1.1113 5 4 3 88.21 1.89 1.1077 6 4 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.